SCHEMBL6407780

SCHEMBL6407780

O=C(CBr)CC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 6/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
P2RX7 Q99572 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL243932 0.86 KMT2A (0.59) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL23088339 0.83 KMT2A (0.74) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6408425 0.83 KMT2A (0.57) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6413259 0.81 GAA (0.58) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL6414674 0.81 POLB (0.71) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL3986889 0.81 EPHX2 (0.55) KMT2AMEN1SMN1; SMN2HTTGAA
SCHEMBL6409908 0.80 MEN1 (0.59) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL31590348 0.80 MEN1 (0.59) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL1534196 0.79 TP53 (0.64) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL1504229 0.79 ALDH1A1 (0.68) KMT2ANPC1RAB9AMEN1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111138357-B 2-oxo-1, 2-dihydroquinoline derivative, preparation method and medical application thereof 天津药物研究院有限公司 2022-11-04 CN disclosed
CN-113563320-A Compound containing thiophene structure and application thereof in medicine 天津药物研究院有限公司 2021-10-29 CN disclosed
CN-111138357-A 2-oxo-1, 2-dihydroquinoline derivative, preparation method and medical application thereof 天津药物研究院有限公司 2020-05-12 CN disclosed
US-6921770-B2 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-07-26 US disclosed
EP-1311160-A4 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INST SCI & TECH (KR) 2004-04-21 EP disclosed
US-20030203950-A1 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-10-30 US disclosed
EP-1311160-A1 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-05-21 EP disclosed
WO-2002013611-A1 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-02-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030203950-A1 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same TYR, SYPL1, SSBP1 KMT2A 2739/4885NPC1 4560/4885RAB9A 500/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.